Information card for entry 4129694

Structure parameters

• Formula: C158 H178 Au24 Cd S18
• Calculated formula: C158 H178 Au24.0004 Cd0.9996 S18
• Title of publication: Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.
• Authors of publication: Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15350 - 15353
• a: 16.1261 ± 0.0015 Å
• b: 17.853 ± 0.0016 Å
• c: 18.2352 ± 0.0016 Å
• α: 64.955 ± 0.001°
• β: 64.749 ± 0.002°
• γ: 80.851 ± 0.002°
• Cell volume: 4300.3 ± 0.7 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No